4-methyl-3-nitro-N-(oxolan-2-ylmethylcarbamothioyl)benzamide

Systemtic Name: 4-methyl-3-nitro-N-(oxolan-2-ylmethylcarbamothioyl)benzamide Openeye Name: 4-methyl-3-nitro-N-(tetrahydrofuran-2-ylmethylcarbamothioyl)benzamide CAS Name: 4-methyl-3-nitro-N-[(2-oxolanylmethylamino)-sulfanylidenemethyl]benzamide IUPAC Name: 4-methyl-3-nitro-N-(oxolan-2-ylmethylcarbamothioyl)benzamide Traditional Name: 4-methyl-3-nitro-N-(tetrahydrofurfurylthiocarbamoyl)benzamide Formula: C14H17N3O4S MolecularWeight: 323.36748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)NCC2CCCO2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NCC2CCCO2)[N+](=O)[O-]

InChI

InChI=1S/C14H17N3O4S/c1-9-4-5-10(7-12(9)17(19)20)13(18)16-14(22)15-8-11-3-2-6-21-11/h4-5,7,11H,2-3,6,8H2,1H3,(H2,15,16,18,22)